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北京石油化工学院2026年研究生招生接收调剂公告
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cyx779

木虫 (小有名气)

hex

[求助] MS导出的cell文件中原子坐标有4列,分别是什么意思

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4列的东西,还是坐标,找了找,总觉得这个应该是是k-point和对应的权重,不知道对不对。。。
不一定挂在论坛,计算问题问题欢迎留言。
2楼2014-02-20 22:29:41
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cyx779

木虫 (小有名气)

hex

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3楼2014-02-21 14:18:48
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